General Information of the Compound
Compound ID
CP0355582
Compound Name
(3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-1-(1H-indol-5-yl)-2-oxopyrrolidine-3-carboxamide
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Structure
Formula
C20H17F2N3O3
Molecular Weight
385.37
Canonical SMILES
O[C@@]1(CCN(C1=O)c1ccc2[nH]ccc2c1)C(=O)NCc1cc(F)cc(F)c1
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InChI
InChI=1S/C20H17F2N3O3/c21-14-7-12(8-15(22)10-14)11-24-18(26)20(28)4-6-25(19(20)27)16-1-2-17-13(9-16)3-5-23-17/h1-3,5,7-10,23,28H,4,6,11H2,(H,24,26)/t20-/m0/s1
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InChIKey
WVGGJQVCOTYFPV-FQEVSTJZSA-N
Physicochemical Property
logP
2.2303
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
85.43
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 89855776
ChEMBL ID
CHEMBL4464946
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00973, Methionine aminopeptidase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000749 HUVEC-C Homo sapiens (Human)  1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
Kd = 2.1 nM
   TI
   LI
   LO
   TS
2
Ki = 4.33 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 54 nM